2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazin-1-iumyl]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C19H20ClFN3O3+ MolecularWeight: 392.831803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19ClFN3O3/c20-15-9-13(1-3-16(15)21)22-19(25)11-23-5-7-24(8-6-23)14-2-4-17-18(10-14)27-12-26-17/h1-4,9-10H,5-8,11-12H2,(H,22,25)/p+1